2-[2-[2-[(4-tert-butylphenyl)methylsulfonyl]ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(4-tert-butylphenyl)methylsulfonyl]ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-[(4-tert-butylphenyl)methylsulfonyl]acetyl]imino-3-hydroxy-thiazol-4-yl]acetic acid CAS Name: 2-[2-[2-[(4-tert-butylphenyl)methylsulfonyl]-1-oxoethyl]imino-3-hydroxy-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-[(4-tert-butylphenyl)methylsulfonyl]acetyl]imino-3-hydroxy-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[2-(4-tert-butylbenzyl)sulfonylacetyl]imino-3-hydroxy-4-thiazolin-4-yl]acetic acid Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N=C2N(C(=CS2)CC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N=C2N(C(=CS2)CC(=O)O)O

InChI

InChI=1S/C18H22N2O6S2/c1-18(2,3)13-6-4-12(5-7-13)10-28(25,26)11-15(21)19-17-20(24)14(9-27-17)8-16(22)23/h4-7,9,24H,8,10-11H2,1-3H3,(H,22,23)